Changeset 732da7

Timestamp:

Apr 26, 2010, 4:22:17 PM (15 years ago)

Author:

Frederik Heber <heber@…>

Children:

caab20

Parents:

5a2599 (diff), da09739 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'FixAnalysisBonds_carbonwrongZ' into Analysis_PairCorrelation

Conflicts:

molecuilder/src/unittests/analysisbondsunittest.cpp

Conflict has been due to mixing of lines setting Z and vDw and CoV of carbon.

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/unittests/analysisbondsunittest.cpp (modified) (1 diff)

molecuilder/src/unittests/analysisbondsunittest.cpp

@@ -48 +48 @@
   strcpy(hydrogen->symbol, "H");
   carbon = new element;
-  carbon->Z = 1;
+  carbon->Z = 2;
   carbon->Valence = 4;
   carbon->NoValenceOrbitals = 4;